tert-butyl 5-chloranyl-3-[6-iodanyl-4-[[(4-methoxyphenyl)amino]methyl]quinolin-2-yl]indole-1-carboxylate

Systemtic Name: tert-butyl 5-chloranyl-3-[6-iodanyl-4-[[(4-methoxyphenyl)amino]methyl]quinolin-2-yl]indole-1-carboxylate Openeye Name: tert-butyl 5-chloro-3-[6-iodo-4-[(4-methoxyanilino)methyl]-2-quinolyl]indole-1-carboxylate CAS Name: 5-chloro-3-[6-iodo-4-[(4-methoxyanilino)methyl]-2-quinolinyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-chloro-3-[6-iodo-4-[(4-methoxyanilino)methyl]quinolin-2-yl]indole-1-carboxylate Traditional Name: 5-chloro-3-[6-iodo-4-(p-anisidinomethyl)-2-quinolyl]indole-1-carboxylic acid tert-butyl ester Formula: C30H27ClIN3O3 MolecularWeight: 639.91115

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)Cl)C3=NC4=C(C=C(C=C4)I)C(=C3)CNC5=CC=C(C=C5)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)Cl)C3=NC4=C(C=C(C=C4)I)C(=C3)CNC5=CC=C(C=C5)OC

InChI

InChI=1S/C30H27ClIN3O3/c1-30(2,3)38-29(36)35-17-25(24-14-19(31)5-12-28(24)35)27-13-18(23-15-20(32)6-11-26(23)34-27)16-33-21-7-9-22(37-4)10-8-21/h5-15,17,33H,16H2,1-4H3